Chemical identity

2,4,6-Trichloro-N-(imidazolidin-2-ylidene)aniline

CAS 21571-08-4 · C9H8Cl3N3

01Identity

Identifiers and names for this exact compound. Empty fields are left unassigned.

Lazychem IDLC-02223
PubChem CID10470115
Name2,4,6-Trichloro-N-(imidazolidin-2-ylidene)aniline
CAS RN21571-08-4
Molecular formulaC9H8Cl3N3
Molecular weight264.5 g/mol
IUPAC name2,4,6-Trichloro-N-(imidazolidin-2-ylidene)aniline
InChIKeyREGMPMOUDUTRSJ-UHFFFAOYSA-N

02Structure identifiers

2D structurePubChem CID 10470115
Two-dimensional chemical structure of 2,4,6-Trichloro-N-(imidazolidin-2-ylidene)aniline, CAS 21571-08-4
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 2 rings, includes aromatic atoms, includes aliphatic carbon, contains at least one halogen atom. These statements are calculated from the published structure string.

Defined stereocentres0
Unassigned stereocentres0
Ring count2
Secondary amines2
Tertiary amines0
N-methyl amine sites0
SMILESC1CN=C(N1)NC2=C(C=C(C=C2Cl)Cl)Cl
InChINot listed
Formula from structureC9H8Cl3N3
Molecular weight from structure264.5 g/mol

03Possible N-nitroso structures

Shown for structural screening only. These candidates are not confirmed impurities, formation predictions or analytical findings.

Matched amine site2 candidates
Chemical structure of 2,4,6-Trichloro-N-(imidazolidin-2-ylidene)aniline with the matched amine site highlighted in amber
Amber identifies the screened atom and adjacent bonds.
Possible structure candidateUnverified identity
First calculated possible N-nitroso structure derived from 2,4,6-Trichloro-N-(imidazolidin-2-ylidene)aniline, with the new N-nitroso group highlighted in amber
The new N-N=O atoms and bonds are highlighted. No CAS number or compound name is assigned by this calculation.
Candidate 1Possible N-nitroso structural candidate
Calculated formula
C9H7Cl3N4O
Candidate SMILES
O=NN1CCN=C1Nc1c(Cl)cc(Cl)cc1Cl
Candidate 2Possible N-nitroso structural candidate
Calculated formula
C9H7Cl3N4O
Candidate SMILES
O=NN(C1=NCCN1)c1c(Cl)cc(Cl)cc1Cl

Interpretation: A structural alert alone does not establish that a nitrosamine forms. Evaluate nitrite sources, amine reagents, pH, temperature, process sequence, purge and analytical evidence.

04India status for this compound

These results apply only to this exact compound name and CAS number. Confirm the current official instruments before making a regulatory decision.

NDPS / RCSNO EXACT MATCH FOUNDCAS 21571-08-4 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 21571-08-4 has no exact match in the reviewed SCOMET list.
Review date2026-08-01Recheck the current official instruments for the material, concentration, activity and date in question.

05Names and relationships

Associated parent compound

Chemical

View associated product family

Other names

  • 1H-Imidazol-2-amine, 4,5-dihydro-N-(2,4,6-trichlorophenyl)-
  • 21571-08-4
  • N-(2,4,6-trichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine
  • CHEMBL264857
  • SCHEMBL11180812
  • SCHEMBL11365446
  • DTXSID80440501

Related records from the same parent family

06Documented history

Dated discovery, occurrence, use and issue claims are published only when a suitable primary or government source is available.

No dated history available

No verified discovery, first report, occurrence, use or issue event is currently available for this identity.

07Sources